4-ethyl-1,3-dimethyl-2H-triazole

C6H13N3 — CID 91607569

IUPAC4-ethyl-1,3-dimethyl-2H-triazole
SMILESCCC1=CN(C)NN1C
InChIInChI=1S/C6H13N3/c1-4-6-5-8(2)7-9(6)3/h5,7H,4H2,1-3H3
InChIKeyHYAAVUKODRCMMV-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.53
Rot. Bonds1

About 4-ethyl-1,3-dimethyl-2H-triazole

4-ethyl-1,3-dimethyl-2H-triazole (PubChem CID 91607569) has the molecular formula C6H13N3 and a molecular weight of 127.19 g/mol. Its IUPAC name is 4-ethyl-1,3-dimethyl-2H-triazole.

Molecular Properties

Compound Name4-ethyl-1,3-dimethyl-2H-triazole
PubChem CID91607569
Molecular FormulaC6H13N3
Molecular Weight127.19 g/mol
Exact Mass127.11
IUPAC Name4-ethyl-1,3-dimethyl-2H-triazole
SMILESCCC1=CN(C)NN1C
InChIInChI=1S/C6H13N3/c1-4-6-5-8(2)7-9(6)3/h5,7H,4H2,1-3H3
InChIKeyHYAAVUKODRCMMV-UHFFFAOYSA-N
XLogP0.53
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1,3-dimethyl-2H-triazole?
The IUPAC name of 4-ethyl-1,3-dimethyl-2H-triazole (CID 91607569) is 4-ethyl-1,3-dimethyl-2H-triazole.
What is the SMILES notation for 4-ethyl-1,3-dimethyl-2H-triazole?
The canonical SMILES for 4-ethyl-1,3-dimethyl-2H-triazole is CCC1=CN(C)NN1C.
What is the InChIKey of 4-ethyl-1,3-dimethyl-2H-triazole?
The InChIKey is HYAAVUKODRCMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3/c1-4-6-5-8(2)7-9(6)3/h5,7H,4H2,1-3H3.
What are the key properties of 4-ethyl-1,3-dimethyl-2H-triazole?
4-ethyl-1,3-dimethyl-2H-triazole has a molecular weight of 127.19 g/mol, XLogP of 0.53, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1,3-dimethyl-2H-triazole is sourced from PubChem (CID 91607569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).